N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide

C24H25FN2O2S — CID 11959744

IUPACN-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)C(CCOc2ccc(F)cc2)C2CC2)c(-c2ccccc2)s1
InChIInChI=1S/C24H25FN2O2S/c1-16-26-22(23(30-16)18-6-4-3-5-7-18)24(28)27(2)21(17-8-9-17)14-15-29-20-12-10-19(25)11-13-20/h3-7,10-13,17,21H,8-9,14-15H2,1-2H3
InChIKeyIFUPCOXBFMGWDL-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.58
Rot. Bonds8

About N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide

N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 11959744) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID11959744
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC NameN-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)C(CCOc2ccc(F)cc2)C2CC2)c(-c2ccccc2)s1
InChIInChI=1S/C24H25FN2O2S/c1-16-26-22(23(30-16)18-6-4-3-5-7-18)24(28)27(2)21(17-8-9-17)14-15-29-20-12-10-19(25)11-13-20/h3-7,10-13,17,21H,8-9,14-15H2,1-2H3
InChIKeyIFUPCOXBFMGWDL-UHFFFAOYSA-N
XLogP5.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 11959744) is N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(C)C(CCOc2ccc(F)cc2)C2CC2)c(-c2ccccc2)s1.
What is the InChIKey of N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is IFUPCOXBFMGWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-16-26-22(23(30-16)18-6-4-3-5-7-18)24(28)27(2)21(17-8-9-17)14-15-29-20-12-10-19(25)11-13-20/h3-7,10-13,17,21H,8-9,14-15H2,1-2H3.
What are the key properties of N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11959744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).